⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27244692 | 0.90 | AKR1B1 (0.31) | — | |
| SCHEMBL30992270 | 0.86 | USP30 (0.34) | — | |
| SCHEMBL27244856 | 0.85 | — | — | |
| SCHEMBL27244814 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL27244767 | 0.77 | AKR1B1 (0.39) | — | |
| SCHEMBL30890800 | 0.76 | IMPDH2 (0.30) | — | |
| SCHEMBL31430274 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL30890432 | 0.72 | — | — | |
| SCHEMBL30890609 | 0.72 | GPR119 (0.33) | — | |
| SCHEMBL27244782 | 0.71 | SIRT2 (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240199647-A1 | ANTI-VIRAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2024-06-20 | — | — | US | disclosed |